Name: 2(1H)-Pyrazinone, 3-phenyl-
SKU: 2882-18-0

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Basic Information

Molecular Structure:
CAS No.:	2882-18-0
Name:	2(1H)-Pyrazinone, 3-phenyl-
Article Data:	7

Formula:	C₁₀H₈N₂O
Molecular Weight:	172.186
Synonyms:	Pyrazinol,3-phenyl- (6CI,7CI,8CI);2-Hydroxy-3-phenylpyrazine;3-Phenyl-1H-pyrazin-2-one;3-Phenyl-2-pyrazinol;
Density:	1.2 g/cm³
Melting Point:	172-174 °C
Boiling Point:	457.4 °C at 760 mmHg
Flash Point:	230.5 °C
PSA:	45.75000
LogP:	1.43690

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Specification

The 3-Phenyl-2(1H)-pyrazinone, with the CAS registry number 2882-18-0, is also known as 2-Hydroxy-3-phenylpyrazine and 3-Phenyl-1H-pyrazin-2-one. This chemical's molecular formula is C₁₀H₈N₂O and molecular weight is 172.18. What's more, both its IUPAC name and systematic name are the same which is called 3-Phenyl-1H-pyrazin-2-one.

Physical properties about this chemical are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.28; (6)ACD/BCF (pH 7.4): 3.28 ; (7)ACD/KOC (pH 5.5): 81.53; (8)ACD/KOC (pH 7.4): 81.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 50.49 cm³; (15)Molar Volume: 143.1 cm³; (16)Surface Tension: 47.5 dyne/cm; (17)Density: 1.2 g/cm³; (18)Flash Point: 230.5 °C; (19)Enthalpy of Vaporization: 74.51 kJ/mol; (20)Melting Point: 172-174 °C ; (21)Boiling Point: 457.4 °C at 760 mmHg; (22)Vapour Pressure: 5.48E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=NC=CNC2=O
(2)InChI: InChI=1S/C10H8N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
(3)InChIKey: SYPKOIOSVWYKHO-UHFFFAOYSA-N